Basic information
- Standard SMILES
CC(C)(C)OC(=O)C(Cc1ccc(O)cc1)NCc1cnc2nc(N)nc(N)c2n1- InChIKey
ONJMDMUUJIHJHY-UHFFFAOYSA-N- Molecular formula
- C20H25N7O3
- Average molar mass
- 411.5 g/mol
- Monoisotopic mass
- 411.20188768
Names & identifiers
- Preferred name
- 2-[(2,4-Diamino-pteridin-6-ylmethyl)-amino]-3-(4-hydroxy-phenyl)-propionic Acid Tert-butyl Ester
- IUPAC
- tert-butyl 2-[(2,4-diaminopteridin-6-yl)methylamino]-3-(4-hydroxyphenyl)propanoate
Names & synonyms
SCHEMBL3735162ONJMDMUUJIHJHY-UHFFFAOYSA-N2-[(2,4-Diamino-pteridin-6-ylmethyl)-amino]-3-(4-hydroxy-phenyl)-propionic Acid Tert-butyl Ester
Database identifiers
- PubChem CID
- 58847294
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 162 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 565
Related reactions
2 records
Compound notes
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